SCHEMBL1383615

SCHEMBL1383615

COc1cc(CCc2cnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)ccn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.48
▸ ABCG2 Q9UNQ0 6/20 0.46
▸ EGFR P00533 4/20 0.46
▸ FYN P06241 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ FLT1 P17948 2/20 0.41
▸ BRAF P15056 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PTK6 Q13882 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1383596 0.88 KDR (0.38) KDRABCG2EGFRFYNMAPT
SCHEMBL1382827 0.85 EGFR (0.48) KDRABCG2EGFRTSHRHTT
SCHEMBL1383042 0.81 KIF11 (0.53) KDRABCG2EGFRTSHRHTT
SCHEMBL1383441 0.81 EGFR (0.49) KDRABCG2EGFRTSHRHTT
SCHEMBL1385899 0.79 EGFR (0.36) KDRABCG2EGFRMAPTFLT1
SCHEMBL1383073 0.79 CCNK (0.35) KDRABCG2EGFRMAPTCDK2
SCHEMBL23674491 0.74 MAPT (0.57) KDRABCG2EGFRFYNMAPT
SCHEMBL4824542 0.74 NPC1 (0.48) KDRABCG2EGFRFYNTSHR
SCHEMBL1385761 0.74 KDR (0.39) KDRABCG2EGFRTSHRHTT
SCHEMBL1385961 0.73 MEN1 (0.44) KDRABCG2EGFRHTTMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4837864-B2 — — 2011-12-14 — — JP claimed
US-7323474-B2 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase NOVARTIS AG (CH) 2008-01-29 — — US claimed
EP-1254138-B1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2005-05-11 — — EP claimed
US-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase BOLD GUIDO 2004-10-21 — — US claimed
US-6706731-B2 WITH ISOQUINOLINE DERIVATIVES AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2004-03-16 — — US claimed
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase NOVARTIS AG (CH) 2003-08-21 — — US claimed
EP-1254138-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE Novartis AG (CH) 2002-11-06 — — EP claimed
WO-2001058899-A1 PYRIDINE DERIVATIVES INHIBITING ANGIOGENESIS AND/OR VEGF RECEPTOR TYROSINE KINASE NOVARTIS AG (CH) 2001-08-16 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040209894-A1 Pyridine derivatives inhibiting angiogenesis and/or VEGF receptor tyrosine kinase FLT1, FLT4, KDR KDR 3/4885ABCG2 835/4885EGFR 15/4885
US-20030158409-A1 Pyridine derivatives inhibiting angiogenesis and/or vegf receptor tyrosine kinase FLT1, FLT4, KDR KDR 3/4885ABCG2 585/4885EGFR 12/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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